| CAS Number | 72965-46-9 |
| Catalog Number | AG01APN2(AGN-PC-00NWWR) |
| Chemical Name | 2-Amino-4-tert-butyl-3-furonitrile |
| IUPAC Name | 2-amino-4-tert-butylfuran-3-carbonitrile |
| InChI | InChI=1S/C9H12N2O/c1-9(2,3)7-5-12-8(11)6(7)4-10/h5H,11H2,1-3H3 |
| InChI Key | VGSLQRRXQXCXMJ-UHFFFAOYSA-N |
| MDL Number | MFCD20722123 |
| Molecular Formula | C9H12N2O |
| Molecular Weight | 164.2044 |
| SMILES | N#CC1C(=COC=1N)C(C)(C)C |
| Synonyms | 2-amino-4-tert-butyl-3-furonitrile,
72965-46-9,
2-amino-4-tert-butylfuran-3-carbonitrile,
2-amino-4-(tert-butyl)furan-3-carbonitrile,
SCHEMBL10725181,
VGSLQRRXQXCXMJ-UHFFFAOYSA-N,
ZINC34152148,
2-amino-3-cyano-4-tert.-butylfuran,
2-amino-3-cyano-4-tert.-butyl-furan,
AKOS015831441,
MCULE-9930597522,
2-amino-3-cyano-4-(1,1-dimethylethyl)furan,
L-4346,
F2150-0050,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.208g/mol |
| Monoisotopic Mass | 164.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number